%chk=000074209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074209

0 1
 O   -5.278400      -3.164000      0.1402000    
 O   -5.674800       2.994800     -0.4548000    
 O    5.206100      -2.960700      -1.277700    
 O    5.073700       3.199900     -0.5856000    
 O   -3.849500      -2.163000      -1.315400    
 O   -4.446600       1.673500      -1.836000    
 O    3.385400      -1.681000      -1.735800    
 O    3.097200       2.152400     -0.9838000    
 N   -3.754700      6.9200002E-02  0.2871000    
 N    3.969600     -5.5399999E-02  0.4031000    
 C  -0.2409000     -0.3051000       1.708000    
 C    1.124700      0.2196000       1.258600    
 C   -1.349300      0.1437000      0.7518000    
 C    2.276300     -0.2266000       2.165000    
 C   -2.716700     -0.3506000       1.221000    
 C    3.626900      0.3619000       1.758600    
 C   -4.916800     -0.8170000      0.3755000    
 C   -4.151800       1.454200      0.5463000    
 C    4.474100      -1.429300      0.3999000    
 C    4.960000      0.8511000     -0.1795000    
 C   -4.604100      -2.094500     -0.3534000    
 C   -4.762200       2.022000     -0.7053000    
 C    4.288900      -2.006600     -0.9762000    
 C    4.263000       2.111600     -0.6115000    
 H  -0.2152000      -1.400400       1.754800    
 H  -0.4555000      5.8300000E-02   2.720100    
 H    1.308000     -0.1224000      0.2329000    
 H    1.095200       1.316000       1.227700    
 H   -1.140800     -0.2456000     -0.2532000    
 H   -1.328000       1.236700      0.6804000    
 H    2.307100      -1.320600       2.207700    
 H    2.060400      0.1037000       3.189400    
 H   -2.930000     -5.7999999E-03   2.241600    
 H   -2.657000      -1.445400       1.276300    
 H    3.537300       1.453400       1.830300    
 H    4.401400      6.9300003E-02   2.479600    
 H   -5.184700      -1.027300       1.418000    
 H   -5.796900     -0.3956000     -0.1247000    
 H   -4.862100       1.518600       1.379600    
 H   -3.302600       2.104400      0.7812000    
 H    3.921400      -2.094000       1.071300    
 H    5.531400      -1.468200      0.6893000    
 H    5.416900      0.4370000      -1.086200    
 H    5.762100       1.082500      0.5316000    
 H   -5.076900      -3.985000     -0.3575000    
 H   -6.049600       3.366500      -1.281600    
 H    5.060100      -3.339200      -2.170900    
 H    4.608700       4.009400     -0.8870000    


%chk=000074209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074209

0 1
O -5.835100 -3.173202 -0.001045
O -5.042008 3.234755 -0.860010
O 4.367641 -3.165009 -1.351154
O 5.638904 3.190744 -0.820486
O -3.593046 -2.834356 -0.503684
O -5.545377 1.145874 -1.738732
O 4.327105 -1.036760 -2.278582
O 3.470977 2.885303 -0.047040
N -3.852348 -0.059023 0.345430
N 4.077877 0.068078 0.432802
C -0.226341 -0.295812 1.752002
C 1.150702 0.246335 1.310087
C -1.369881 0.133337 0.804520
C 2.299902 -0.232779 2.222996
C -2.742498 -0.382315 1.283663
C 3.676772 0.353791 1.837602
C -4.996213 -0.976801 0.415170
C -4.236133 1.356142 0.381065
C 4.385554 -1.347047 0.201247
C 5.097923 0.982194 -0.096611
C -4.675042 -2.380530 -0.082507
C -4.996520 1.831707 -0.852091
C 4.346025 -1.764610 -1.265025
C 4.596410 2.407897 -0.292599
H -0.190255 -1.404980 1.797094
H -0.446552 0.051832 2.784405
H 1.363420 -0.058387 0.267852
H 1.135551 1.354690 1.298531
H -1.191658 -0.263062 -0.212192
H -1.367237 1.239610 0.723076
H 2.329286 -1.342627 2.232983
H 2.097244 0.068524 3.271741
H -2.953201 0.003924 2.314753
H -2.682167 -1.481926 1.353520
H 3.616596 1.450909 1.937625
H 4.453341 -0.006268 2.561142
H -5.432889 -1.084084 1.441168
H -5.803071 -0.600096 -0.238008
H -4.864842 1.633994 1.269126
H -3.327423 1.976315 0.455587
H 3.645278 -1.970344 0.730053
H 5.385880 -1.665819 0.598641
H 5.416422 0.632765 -1.094493
H 6.021383 1.044596 0.534574
H -5.629217 -4.083903 -0.345857
H -5.563138 3.542514 -1.650605
H 4.366342 -3.436920 -2.308960
H 5.306424 4.117232 -0.967975


